title: Quantitative determination of phenolic compounds by UHPLC-UV-MS and use of partial least-square discriminant analysis to differentiate chemo-types of Chamomile/Chrysanthemum flower heads.
abstract: A new rapid UHPLC-UV-QTOF/MS method has been developed for the simultaneous analysis of nine phenolic compounds [(Z)-2-β-d-glucopyranosyloxy-4-methoxycinnamic acid (cis-GMCA), chlorogenic acid, (E)-2-β-d-glucopyranosyloxy-4-methoxycinnamic acid (trans-GMCA), quercetagetin-7-O-β-d-glucopyranoside, luteolin-7-O-β-d-glucoside, apigenin-7-O-β-d-glucoside, chamaemeloside, apigenin 7-O-(6″-O-acetyl-β-d-glucopyranoside), apigenin] and one polyacetylene (tonghaosu) from the flower heads of Chamomile/Chrysanthemum samples. The chromatographic separation was achieved using a reversed phase C18 column with a mobile phase of water and acetonitrile, both containing 0.05% formic acid. The ten compounds were completely separated within 15min at a flow rate of 0.25mL/min with a 2μL injection volume. The different chemo-types of Chamomiles/Chrysanthemum displayed variations in the presence of chemical constituents. German Chamomile samples confirmed the presence of cis-GMCA, trans-GMCA, apigenin-7-O-β-d-glucoside and tonghaosu as major constituents whereas Roman chamomile samples confirmed the presence of chamamaeloside and apigenin as major compounds. The Chrysanthemum morifolium samples showed the presence of luteolin-7-O-β-d-glucose as the major compound. The method was applied for the analysis of various commercial products including capsules, tea bags, body and hair care products. LC-mass spectrometry with electrospray ionization (ESI) interface method is described for the evaluation of ten compounds in plant samples and commercial products. This method involved the detection of [M+Na](+) and [M+H](+) ions in the positive mode. Partial least squares discriminant analysis (PLS-DA) was used to visualize commercial samples quality and may be of value for discriminating between chamomile types and Chrysanthemum with regards to the relative content of individual constituents. The results indicated that the method is suitable as a quality control test for various Chamomile/Chrysanthemum samples and market products.
authors.affiliation: National Center for Natural Products Research, Research Institute of Pharmaceutical Sciences, The University of Mississippi, University, MS 38677, USA. Electronic address: bavula@olemiss.edu.
authors.forename: Bharathi
authors.initials: B
authors.lastname: Avula
authors.forename: Yan-Hong
authors.initials: YH
authors.lastname: Wang
authors.forename: Mei
authors.initials: M
authors.lastname: Wang
authors.forename: Cristina
authors.initials: C
authors.lastname: Avonto
authors.forename: Jianping
authors.initials: J
authors.lastname: Zhao
authors.forename: Troy J
authors.initials: TJ
authors.lastname: Smillie
authors.forename: Diego
authors.initials: D
authors.lastname: Rua
authors.forename: Ikhlas A
authors.initials: IA
authors.lastname: Khan
mesh_terms: D002138:Calibration; D020843:Chamomile / Q000737:chemistry*; D002626:Chemistry, Pharmaceutical; D002851:Chromatography, High Pressure Liquid; D031202:Chrysanthemum / Q000737:chemistry*; D035264:Flowers / Q000737:chemistry*; D007477:Ions; D016018:Least-Squares Analysis; D013058:Mass Spectrometry; D019800:Phenol / Q000737:chemistry; D010936:Plant Extracts / Q000737:chemistry; D025341:Principal Component Analysis; D011786:Quality Control; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity; D021241:Spectrometry, Mass, Electrospray Ionization; D013056:Spectrophotometry, Ultraviolet
chemical_list: D007477:Ions; D010936:Plant Extracts; D019800:Phenol
keywords: Asteraceae; Chamomiles; Chrysanthemum morifolium; Phenolic compounds; UHPLC-UV-QTOF/MS